rel-(3R,4R)-1-[(3,4-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[(3,4-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[(3,4-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0131 |
| Compound Name: | rel-(3R,4R)-1-[(3,4-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C18 H23 N5 O4 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(Cc2ccc(c(c2)OC)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2271 |
| logD: | -0.2276 |
| logSw: | -2.0925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.31 |
| InChI Key: | NHPBWXFXUXFSGH-STQMWFEESA-N |